SCHEMBL12201108

SCHEMBL12201108

Cc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1C)Cc1cc(C(C)(C)C)cc(c1O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ ELANE P08246 1/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ CYP2C19 P33261 4/20 0.37
▸ TLR4 O00206 3/20 0.36
▸ CD14 P08571 3/20 0.36
▸ LY96 Q9Y6Y9 3/20 0.36
▸ ING2 Q9H160 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TYR P14679 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30547266 0.91 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL29517201 0.91 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL2471228 0.91 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL13620669 0.91 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL9910710 0.91 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL29945572 0.91 GABRA1 (0.50) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL17770826 0.88 SMN1; SMN2 (0.45) GABRA1GABRB2ELANECD69CYP2C19
Carbon Dioxide SCHEMBL30318039 0.83 CD69 (0.46) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL22911514 0.80 ELANE (0.40) GABRA1GABRB2ELANECD69CYP2C19
SCHEMBL12228964 0.77 CD69 (0.38) GABRA1GABRB2ELANECD69CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034622-B2 Selective detection of Hg2+ by calix[4]arenes INDIAN INSTITUTE OF TECHNOLOGY BOMBAY (IN) 2011-10-11 — — US disclosed
US-8034621-B2 Chemical sensors of zinc, nickel, and copper ions INDIAN INSTITUTE OF TECHNOLOGY (IN) 2011-10-11 — — US disclosed
US-20110045597-A1 CHEMICAL SENSORS OF ZINC, NICKEL, AND COPPER IONS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2011-02-24 — — US disclosed
US-20100330681-A1 SELECTIVE DETECTION OF Hg2+ BY CALIX[4]ARENES EMPIRE TECHNOLOGY DEVELOPMENT LLC 2010-12-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110045597-A1 CHEMICAL SENSORS OF ZINC, NICKEL, AND COPPER IONS SOD1, NCS1, SLC39A11 GABRA1 2636/4885GABRB2 2915/4885ELANE 1331/4885
US-20100330681-A1 SELECTIVE DETECTION OF Hg2+ BY CALIX[4]ARENES CALR, CALD1, CANX GABRA1 2389/4885GABRB2 2017/4885ELANE 3451/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback